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- From: kondaiah samudrala <konda.physics@gmail.com>
- To: forum <forum@abinit.org>
- Subject: [abinit-forum] Requesting for Phonon band structure of MgH2
- Date: Wed, 28 Apr 2010 12:37:32 +0530
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Dear all,
I am new to run Abinit,i am tryng to calculate phono band structures for different materials usin different lattice vectors. here i am facing the problem of ANADDB i/p file. for every every lattice i am facing same problem,here i pasted that
Informations are missing in the DDB.
In blok 1 the following element is missing :
idir1,ipert1,idir2,ipert2= 1 3 1 3
Action : add the required information in the DDB,
or modify your input file.
and i attched my all i/p files.please give suggition to solve this problem
with regards
S.Appalakondaiah
I am new to run Abinit,i am tryng to calculate phono band structures for different materials usin different lattice vectors. here i am facing the problem of ANADDB i/p file. for every every lattice i am facing same problem,here i pasted that
Informations are missing in the DDB.
In blok 1 the following element is missing :
idir1,ipert1,idir2,ipert2= 1 3 1 3
Action : add the required information in the DDB,
or modify your input file.
and i attched my all i/p files.please give suggition to solve this problem
with regards
S.Appalakondaiah
Attachment:
MgH2.tar.gz
Description: GNU Zip compressed data
- [abinit-forum] Requesting for Phonon band structure of MgH2, kondaiah samudrala, 04/28/2010
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